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canSAR1595738
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NAMES
    SMILES
    C[C@@]1(c2cc(NC(=O)COc3ccccc3O)ccc2F)CCSC(N)=N1
    InChI
    InChI=1S/C19H20FN3O3S/c1-19(8-9-27-18(21)23-19)13-10-12(6-7-14(13)20)22-17(25)11-26-16-5-3-2-4-15(16)24/h2-7,10,24H,8-9,11H2,1H3,(H2,21,23)(H,22,25)/t19-/m0/s1
    MOLECULAR FORMULA
    C19H20FN3O3S
    CROSS REFERENCES
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    canSAR1595738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.12
    AlogP 3.22
    HBond donors 4
    HBond acceptors 6
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595738.